Molecule Details
InChIKeyRWOLXJOULAGHOB-UHFFFAOYSA-N
Compound Name4-fluoro-N-[[1-[2-[2-[2-[2-[4-[2,4,6-trioxo-5-(4-phenoxyphenyl)-1,3-diazinan-5-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]benzenesulfonamide
Canonical SMILESO=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCN(CCOCCOCCOCCn3cc(CNS(=O)(=O)c4ccc(F)cc4)nn3)CC2)C(=O)N1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.72
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P08253 MMP2 Homo sapiens Human PF00040 PF00045 PF00413 7.9 pIC50 TTD_MultiTarget
P22894 MMP8 Homo sapiens Human PF00045 PF00413 PF01471 7.7 IC50 ChEMBL;BindingDB
P14780 MMP9 Homo sapiens Human PF00040 PF00045 PF00413 7.7 IC50 ChEMBL;BindingDB
P45452 MMP13 Homo sapiens Human PF00045 PF00413 PF01471 7.6 IC50 ChEMBL;BindingDB
P18843 nadE Escherichia coli (strain K12) Pathogen PF02540 7.6 pIC50 TTD_MultiTarget